<html style="direction: ltr;">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<style id="bidiui-paragraph-margins" type="text/css">body p { margin-bottom: 0cm; margin-top: 0pt; } </style>
</head>
<body bidimailui-charset-is-forced="true" style="direction: ltr;">
<p>Thanks for your reply.</p>
<p><br>
</p>
<p>I had set DFLAGS and autotools did not update it, therefore,</p>
<p>"-D__ELPA" was missing during the compilation of LAXlib.</p>
<p><br>
</p>
<p>Now it seems to be fine and I see ELPA in the output, instead of
scalapack, in line:<br>
</p>
<p>"ELPA distributed-memory algorithm ......"</p>
<p><br>
</p>
<p>However, the performance of QE with ELPA is not better than QE
with scalapack. The system has more than 2,000 KS orbitals running
on more than 500 MPI processes.</p>
<p>Also, I played around with "-nd" and "-nt" (the latter for FFT),
they have some significant impact on run time but the same for
both ELPA and scalapack.</p>
<p><br>
</p>
<p>Do QE developers recommend users to use ELPA?</p>
<p>Is there a benchmark of QE comparing its performance with and
without ELPA?</p>
<p>***************</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 4/15/23 10:08, Paolo Giannozzi
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:20d2b65c-2291-e4fb-f435-e939eb154e9c@uniud.it">On
13/04/2023 19:28, Alireza Ghasemi wrote:
<br>
<br>
<blockquote type="cite"> Does anyone know the latest version of
ELPA to which one can link and build QE-7.1?
<br>
</blockquote>
<br>
from ./configure --help:
<br>
<br>
--with-elpa-version Specify ELPA API version
<br>
(2015 for ELPA releases 2015.x and 2016.05;
<br>
2016 for ELPA releases 2016.11, 2017.x and 2018.05;
<br>
default 2018 for ELPA releases 2018.11 and beyond)
<br>
<br>
<blockquote type="cite">During configure of QE, I see the
following warning:
<br>
<br>
checking ELPA... configure: WARNING: *** Invalid ELPA version,
defaulting to 2018
<br>
<br>
and then no "-D__ELPA" when compiling LAXlib Fortran files.
<br>
</blockquote>
<br>
this cannot happen. This is what happens:
<br>
<br>
if test "$with_elpa_version" = "2015"; then
<br>
try_dflags="$try_dflags -D__ELPA_2015"
<br>
elif test "$with_elpa_version" = "2016"; then
<br>
try_dflags="$try_dflags -D__ELPA_2016"
<br>
elif test "$with_elpa_version" = "2017"; then
<br>
try_dflags="$try_dflags -D__ELPA_2016"
<br>
elif test "$with_elpa_version" = "2018"; then
<br>
try_dflags="$try_dflags -D__ELPA"
<br>
else
<br>
AC_MSG_WARN([*** Invalid ELPA version, defaulting to
2018])
<br>
try_dflags="$try_dflags -D__ELPA"
<br>
fi
<br>
<br>
Paolo
<br>
<br>
<blockquote type="cite">
<br>
<br>
Best regards
<br>
<br>
Alireza
<br>
<br>
<br>
_______________________________________________
<br>
The Quantum ESPRESSO community stands by the Ukrainian
<br>
people and expresses its concerns about the devastating
<br>
effects that the Russian military offensive has on their
<br>
country and on the free and peaceful scientific, cultural,
<br>
and economic cooperation amongst peoples
<br>
_______________________________________________
<br>
Quantum ESPRESSO is supported by MaX (<a class="moz-txt-link-abbreviated" href="http://www.max-centre.eu">www.max-centre.eu</a>)
<br>
users mailing list <a class="moz-txt-link-abbreviated" href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a>
<br>
<a class="moz-txt-link-freetext" href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a>
<br>
</blockquote>
<br>
</blockquote>
<pre class="moz-signature" cols="72">--
Dr. S. Alireza Ghasemi
Training & Support
Erlangen National High Performance Computing Center
Friedrich-Alexander-Universität Erlangen-Nürnberg
Martensstrasse 1, 91058 Erlangen, Germany
<a class="moz-txt-link-freetext" href="https://hpc.fau.de/about-us/people">https://hpc.fau.de/about-us/people</a></pre>
</body>
</html>